This is the third workflow in the PubChem Big Data story. First, we obtain the SMILES of the necessary CIDs using PubChem REST services. Then, we use KNIME Extension for Apache Spark to add the strings with SMILES to the matrix. AWS Autentication component, Paths to Livy and S3 component, and Create Spark Contex (Livy) node require configuration.
Used extensions & nodes
Created with KNIME Analytics Platform version 4.6.1 Note: Not all extensions may be displayed.
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